2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

C20H18F4N6O2 — CID 166070767

IUPAC2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCc1nnn(-c2ccc(C(F)(F)F)nc2)c1COc1cc2c(cn1)CN(C(=O)CF)CC2
InChIInChI=1S/C20H18F4N6O2/c1-12-16(30(28-27-12)15-2-3-17(25-9-15)20(22,23)24)11-32-18-6-13-4-5-29(19(31)7-21)10-14(13)8-26-18/h2-3,6,8-9H,4-5,7,10-11H2,1H3
InChIKeyQDRJZMMOPOCELG-UHFFFAOYSA-N
MW450.40 g/mol
LogP2.82
Rot. Bonds5

About 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 166070767) has the molecular formula C20H18F4N6O2 and a molecular weight of 450.40 g/mol. Its IUPAC name is 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID166070767
Molecular FormulaC20H18F4N6O2
Molecular Weight450.40 g/mol
Exact Mass450.14
IUPAC Name2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCc1nnn(-c2ccc(C(F)(F)F)nc2)c1COc1cc2c(cn1)CN(C(=O)CF)CC2
InChIInChI=1S/C20H18F4N6O2/c1-12-16(30(28-27-12)15-2-3-17(25-9-15)20(22,23)24)11-32-18-6-13-4-5-29(19(31)7-21)10-14(13)8-26-18/h2-3,6,8-9H,4-5,7,10-11H2,1H3
InChIKeyQDRJZMMOPOCELG-UHFFFAOYSA-N
XLogP2.82
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 166070767) is 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is Cc1nnn(-c2ccc(C(F)(F)F)nc2)c1COc1cc2c(cn1)CN(C(=O)CF)CC2.
What is the InChIKey of 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is QDRJZMMOPOCELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N6O2/c1-12-16(30(28-27-12)15-2-3-17(25-9-15)20(22,23)24)11-32-18-6-13-4-5-29(19(31)7-21)10-14(13)8-26-18/h2-3,6,8-9H,4-5,7,10-11H2,1H3.
What are the key properties of 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 450.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 166070767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).